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Substance Name: 9-Fluoro-11beta,17,21-trihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione 21-acetylsalicylate
RN: 94087-97-5
InChIKey: GYYNSXYFAWGGTO-BDXSRWKWSA-N

Molecular Formula

  • C31-H35-F-O8

Molecular Weight

  • 554.6075
 
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Names and Synonyms

Synonym

  • EINECS 301-993-6

Systematic Name

  • 9-Fluoro-11beta,17,21-trihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione 21-acetylsalicylate

Registry Numbers

CAS Registry Number

  • 94087-97-5

System Generated Number

  • 0094087975

Structure Descriptors

InChI

1S/C31H35FO8/c1-17-13-23-22-10-9-19-14-20(34)11-12-28(19,3)30(22,32)25(35)15-29(23,4)31(17,38)26(36)16-39-27(37)21-7-5-6-8-24(21)40-18(2)33/h5-8,11-12,14,17,22-23,25,35,38H,9-10,13,15-16H2,1-4H3/t17-,22+,23+,25+,28+,29+,30?,31+/m1/s1

InChIKey

GYYNSXYFAWGGTO-BDXSRWKWSA-N

Smiles

[C@@]12([C@H]([C@H]3C([C@@]4(C(=CC(=O)C=C4)CC3)C)([C@H](C2)O)F)C[C@H]([C@@]1(C(=O)COC(=O)c1c(OC(=O)C)cccc1)O)C)C